Geometry & MOs

Info

ID:	227321
PubChem CID:	87561232
Reduced:	SO2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	441.156971
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	3.88
IP(EA), eV:	-9.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanesulfonic acid;6-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(SCC1C=O)C=O

DOS

IR

Vibrations